CID 87931

1-iodo-2-isopropylbenzene

Structural Information

Molecular Formula
C9H11I
SMILES
CC(C)C1=CC=CC=C1I
InChI
InChI=1S/C9H11I/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChIKey
SORQIYFSJAWBNQ-UHFFFAOYSA-N
Compound name
1-iodo-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
Patents

245.99055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99783 136.1
[M+Na]+ 268.97977 136.9
[M-H]- 244.98327 132.9
[M+NH4]+ 264.02437 153.0
[M+K]+ 284.95371 141.1
[M+H-H2O]+ 228.98781 127.3
[M+HCOO]- 290.98875 154.3
[M+CH3COO]- 305.00440 185.1
[M+Na-2H]- 266.96522 130.0
[M]+ 245.99000 133.3
[M]- 245.99110 133.3
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