CID 6361

2-chloropropane

Structural Information

Molecular Formula
C3H7Cl
SMILES
CC(C)Cl
InChI
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3
InChIKey
ULYZAYCEDJDHCC-UHFFFAOYSA-N
Compound name
2-chloropropane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9
References

21217
Patents

78.02363 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 79.030906 109.5
[M+Na]+ 101.01285 122.1
[M+NH4]+ 96.057453 119.6
[M+K]+ 116.98679 116.0
[M-H]- 77.016354 110.2
[M+Na-2H]- 98.998296 115.4
[M]+ 78.023081 111.7
[M]- 78.024179 111.7
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