CID 66961

Propyne, 3-chloro-1-iodo-

Structural Information

Molecular Formula
C3H2ClI
SMILES
C(C#CI)Cl
InChI
InChI=1S/C3H2ClI/c4-2-1-3-5/h2H2
InChIKey
IRSNQGVPSQCWKJ-UHFFFAOYSA-N
Compound name
3-chloro-1-iodoprop-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

199.88898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.896256 117.7
[M+Na]+ 222.878198 122.9
[M-H]- 198.881704 112.1
[M+NH4]+ 217.922803 135.2
[M+K]+ 238.852138 124.9
[M+H-H2O]+ 182.886240 106.2
[M+HCOO]- 244.887181 128.6
[M+CH3COO]- 258.902831 181.5
[M+Na-2H]- 220.863646 114.4
[M]+ 199.88843142 111.9
[M]- 199.88952858 111.9
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