CID 10899

1-chloropropane

Structural Information

Molecular Formula
C3H7Cl
SMILES
CCCCl
InChI
InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
InChIKey
SNMVRZFUUCLYTO-UHFFFAOYSA-N
Compound name
1-chloropropane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

85
References

82515
Patents

78.02363 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 79.030906 110.0
[M+Na]+ 101.01285 119.2
[M-H]- 77.016354 110.6
[M+NH4]+ 96.057453 135.2
[M+K]+ 116.98679 117.8
[M+H-H2O]+ 61.020890 107.4
[M+HCOO]- 123.02183 130.2
[M+CH3COO]- 137.03748 162.3
[M+Na-2H]- 98.998296 118.5
[M]+ 78.023081 111.8
[M]- 78.024179 111.8
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