CID 84670430

1780915-17-4

Structural Information

Molecular Formula
C9H8F2O3
SMILES
COC1=CC(=C(C=C1)C(F)F)C(=O)O
InChI
InChI=1S/C9H8F2O3/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4,8H,1H3,(H,12,13)
InChIKey
BSPHKISCNKGJBD-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04414 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.051416 137.0
[M+Na]+ 225.033358 145.6
[M-H]- 201.036864 137.2
[M+NH4]+ 220.077963 155.6
[M+K]+ 241.007298 143.9
[M+H-H2O]+ 185.041400 129.9
[M+HCOO]- 247.042341 156.8
[M+CH3COO]- 261.057991 183.4
[M+Na-2H]- 223.018806 139.7
[M]+ 202.04359142 135.8
[M]- 202.04468858 135.8
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.