CID 84811109

1-(3-bromo-2,4-difluorophenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H7BrF2O2
SMILES
C1CC1(C2=C(C(=C(C=C2)F)Br)F)C(=O)O
InChI
InChI=1S/C10H7BrF2O2/c11-7-6(12)2-1-5(8(7)13)10(3-4-10)9(14)15/h1-2H,3-4H2,(H,14,15)
InChIKey
SOKAMKLAOHFUPZ-UHFFFAOYSA-N
Compound name
1-(3-bromo-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.95975 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96703 145.8
[M+Na]+ 298.94897 160.3
[M-H]- 274.95247 153.0
[M+NH4]+ 293.99357 162.6
[M+K]+ 314.92291 148.4
[M+H-H2O]+ 258.95701 145.1
[M+HCOO]- 320.95795 164.0
[M+CH3COO]- 334.97360 195.3
[M+Na-2H]- 296.93442 151.2
[M]+ 275.95920 164.2
[M]- 275.96030 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.