CID 65811456

1-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1CC1(CC2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C11H11BrO2/c12-9-3-1-8(2-4-9)7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14)
InChIKey
ABXVZMQHFZWQCA-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

253.99425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.001526 146.8
[M+Na]+ 276.983468 159.4
[M-H]- 252.986974 155.8
[M+NH4]+ 272.028073 164.1
[M+K]+ 292.957408 148.4
[M+H-H2O]+ 236.991510 147.4
[M+HCOO]- 298.992451 166.7
[M+CH3COO]- 313.008101 191.1
[M+Na-2H]- 274.968916 154.0
[M]+ 253.99370142 166.9
[M]- 253.99479858 166.9
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

patents stripe