CID 12018

2,3-dichloro-1-propanol

Structural Information

Molecular Formula
C3H6Cl2O
SMILES
C(C(CCl)Cl)O
InChI
InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2
InChIKey
ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
Compound name
2,3-dichloropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

36
References

3576
Patents

127.97957 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.98685 118.4
[M+Na]+ 150.96879 130.5
[M+NH4]+ 146.01339 127.5
[M+K]+ 166.94273 124.5
[M-H]- 126.97229 117.8
[M+Na-2H]- 148.95424 123.2
[M]+ 127.97902 120.4
[M]- 127.98012 120.4
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