CID 70117

3-chlorobenzyl alcohol

Structural Information

Molecular Formula
C7H7ClO
SMILES
C1=CC(=CC(=C1)Cl)CO
InChI
InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey
ZSRDNPVYGSFUMD-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2447
Patents

142.01854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02582 123.5
[M+Na]+ 165.00776 133.1
[M-H]- 141.01126 126.2
[M+NH4]+ 160.05236 145.6
[M+K]+ 180.98170 129.4
[M+H-H2O]+ 125.01580 119.7
[M+HCOO]- 187.01674 143.0
[M+CH3COO]- 201.03239 169.7
[M+Na-2H]- 162.99321 131.3
[M]+ 142.01799 124.6
[M]- 142.01909 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe