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]+ 205.00623 134.2
[M+Na]+ 226.98817 144.7
[M-H]- 202.99167 134.8
[M+NH4]+ 222.03277 153.3
[M+K]+ 242.96211 140.4
[M+H-H2O]+ 186.99621 129.7
[M+HCOO]- 248.99715 150.5
[M+CH3COO]- 263.01280 179.3
[M+Na-2H]- 224.97362 137.8
[M]+ 203.99840 135.1
[M]- 203.99950 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