CID 130219089

2-chloro-6-fluoro-4-(hydroxymethyl)benzoic acid

Structural Information

Molecular Formula
C8H6ClFO3
SMILES
C1=C(C=C(C(=C1F)C(=O)O)Cl)CO
InChI
InChI=1S/C8H6ClFO3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2,11H,3H2,(H,12,13)
InChIKey
UDOYDFFCKHUGAH-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-4-(hydroxymethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.99895 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.006226 134.2
[M+Na]+ 226.988168 144.7
[M-H]- 202.991674 134.8
[M+NH4]+ 222.032773 153.3
[M+K]+ 242.962108 140.4
[M+H-H2O]+ 186.996210 129.7
[M+HCOO]- 248.997151 150.5
[M+CH3COO]- 263.012801 179.3
[M+Na-2H]- 224.973616 137.8
[M]+ 203.99840142 135.1
[M]- 203.99949858 135.1
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