CID 165720566

1-(3-chloropropyl)-1-isocyanatocyclopropane

Structural Information

Molecular Formula
C7H10ClNO
SMILES
C1CC1(CCCCl)N=C=O
InChI
InChI=1S/C7H10ClNO/c8-5-1-2-7(3-4-7)9-6-10/h1-5H2
InChIKey
ZWUYDAHUSHAMLM-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)-1-isocyanatocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05237 131.9
[M+Na]+ 182.03431 141.9
[M-H]- 158.03781 137.7
[M+NH4]+ 177.07891 150.9
[M+K]+ 198.00825 139.2
[M+H-H2O]+ 142.04235 127.6
[M+HCOO]- 204.04329 153.9
[M+CH3COO]- 218.05894 182.4
[M+Na-2H]- 180.01976 140.1
[M]+ 159.04454 137.6
[M]- 159.04564 137.6
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.