CID 19810894

4068-74-0

Structural Information

Molecular Formula
C8H6ClFO3
SMILES
COC(=O)C1=C(C(=CC(=C1)F)Cl)O
InChI
InChI=1S/C8H6ClFO3/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3,11H,1H3
InChIKey
OIOHWYHUDLNJTA-UHFFFAOYSA-N
Compound name
methyl 3-chloro-5-fluoro-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.99895 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00623 133.7
[M+Na]+ 226.98817 144.8
[M-H]- 202.99167 135.8
[M+NH4]+ 222.03277 153.7
[M+K]+ 242.96211 141.3
[M+H-H2O]+ 186.99621 129.0
[M+HCOO]- 248.99715 151.5
[M+CH3COO]- 263.01280 181.1
[M+Na-2H]- 224.97362 137.9
[M]+ 203.99840 136.4
[M]- 203.99950 136.4
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