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
7
Annotation Hits

9
References

26148
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 110.0
[M+Na]+ 101.01285 119.0
[M-H]- 77.016354 110.8
[M+NH4]+ 96.057453 135.2
[M+K]+ 116.98679 118.0
[M+H-H2O]+ 61.020890 107.5
[M+HCOO]- 123.02183 129.3
[M+CH3COO]- 137.03748 163.1
[M+Na-2H]- 98.998296 117.3
[M]+ 78.023081 111.2
[M]- 78.024179 111.2
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

No patent data available for this compound.