CID 2733326

1-chloro-2-methylpropyl chloroformate

Structural Information

Molecular Formula
C5H8Cl2O2
SMILES
CC(C)C(OC(=O)Cl)Cl
InChI
InChI=1S/C5H8Cl2O2/c1-3(2)4(6)9-5(7)8/h3-4H,1-2H3
InChIKey
BOGLZTPABVHWDD-UHFFFAOYSA-N
Compound name
(1-chloro-2-methylpropyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

169.99013 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.997406 128.2
[M+Na]+ 192.979348 136.8
[M-H]- 168.982854 128.5
[M+NH4]+ 188.023953 150.0
[M+K]+ 208.953288 134.6
[M+H-H2O]+ 152.987390 126.2
[M+HCOO]- 214.988331 140.8
[M+CH3COO]- 229.003981 177.9
[M+Na-2H]- 190.964796 131.4
[M]+ 169.98958142 132.1
[M]- 169.99067858 132.1
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