CID 2773756

261763-05-7

Structural Information

Molecular Formula
C8H5ClF4O
SMILES
C1=C(C=C(C(=C1CO)F)Cl)C(F)(F)F
InChI
InChI=1S/C8H5ClF4O/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-2,14H,3H2
InChIKey
TXEZAXDRQCONER-UHFFFAOYSA-N
Compound name
[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

227.9965 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00378 137.0
[M+Na]+ 250.98572 148.6
[M-H]- 226.98922 135.0
[M+NH4]+ 246.03032 156.0
[M+K]+ 266.95966 143.3
[M+H-H2O]+ 210.99376 130.0
[M+HCOO]- 272.99470 150.3
[M+CH3COO]- 287.01035 185.8
[M+Na-2H]- 248.97117 141.2
[M]+ 227.99595 133.9
[M]- 227.99705 133.9
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