CID 23510504

3-chloro-5-methylbenzene-1,2-diol

Structural Information

Molecular Formula
C7H7ClO2
SMILES
CC1=CC(=C(C(=C1)Cl)O)O
InChI
InChI=1S/C7H7ClO2/c1-4-2-5(8)7(10)6(9)3-4/h2-3,9-10H,1H3
InChIKey
SVNSFVRPGDZCMV-UHFFFAOYSA-N
Compound name
3-chloro-5-methylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

158.01346 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02074 126.3
[M+Na]+ 181.00268 140.6
[M+NH4]+ 176.04728 135.3
[M+K]+ 196.97662 134.5
[M-H]- 157.00618 127.9
[M+Na-2H]- 178.98813 133.1
[M]+ 158.01291 129.1
[M]- 158.01401 129.1
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