CID 6566

2-chloropropan-1-ol

Structural Information

Molecular Formula
C3H7ClO
SMILES
CC(CO)Cl
InChI
InChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3
InChIKey
VZIQXGLTRZLBEX-UHFFFAOYSA-N
Compound name
2-chloropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

4442
Patents

94.01854 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.025816 112.9
[M+Na]+ 117.00776 124.5
[M+NH4]+ 112.05236 122.0
[M+K]+ 132.98170 119.2
[M-H]- 93.011264 112.5
[M+Na-2H]- 114.99321 117.7
[M]+ 94.017991 114.6
[M]- 94.019089 114.6
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