CID 35683

3-(chloromethyl)phenol

Structural Information

Molecular Formula
C7H7ClO
SMILES
C1=CC(=CC(=C1)O)CCl
InChI
InChI=1S/C7H7ClO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5H2
InChIKey
ZFIKJVXBLFGISQ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

142.01854 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.025816 123.5
[M+Na]+ 165.007758 133.1
[M-H]- 141.011264 126.2
[M+NH4]+ 160.052363 145.6
[M+K]+ 180.981698 129.4
[M+H-H2O]+ 125.015800 119.7
[M+HCOO]- 187.016741 143.0
[M+CH3COO]- 201.032391 169.7
[M+Na-2H]- 162.993206 131.3
[M]+ 142.01799142 124.6
[M]- 142.01908858 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

No literature data available for this compound.

Patent stripe

patents stripe