CID 118061775

1-(difluoromethyl)-3,3-difluorocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H6F4O2
SMILES
C1C(CC1(F)F)(C(F)F)C(=O)O
InChI
InChI=1S/C6H6F4O2/c7-3(8)5(4(11)12)1-6(9,10)2-5/h3H,1-2H2,(H,11,12)
InChIKey
ROWNOOHMOQZGNX-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-3,3-difluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

186.0304 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03768 136.4
[M+Na]+ 209.01962 144.0
[M-H]- 185.02312 134.4
[M+NH4]+ 204.06422 152.6
[M+K]+ 224.99356 145.4
[M+H-H2O]+ 169.02766 126.3
[M+HCOO]- 231.02860 151.4
[M+CH3COO]- 245.04425 182.4
[M+Na-2H]- 207.00507 139.1
[M]+ 186.02985 138.6
[M]- 186.03095 138.6
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