CID 152980

Difluoromethoxyacetic acid

Structural Information

Molecular Formula
C3H4F2O3
SMILES
C(C(=O)O)OC(F)F
InChI
InChI=1S/C3H4F2O3/c4-3(5)8-1-2(6)7/h3H,1H2,(H,6,7)
InChIKey
DFUYDBNOCSKWJZ-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

134
Patents

126.01285 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.02013 118.1
[M+Na]+ 149.00207 125.9
[M-H]- 125.00557 114.7
[M+NH4]+ 144.04667 139.3
[M+K]+ 164.97601 126.4
[M+H-H2O]+ 109.01011 112.2
[M+HCOO]- 171.01105 138.2
[M+CH3COO]- 185.02670 167.6
[M+Na-2H]- 146.98752 122.6
[M]+ 126.01230 116.2
[M]- 126.01340 116.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe