CID 10926968

1,2-dichloro-4-iodo-heptafluoro-n-butane

Structural Information

Molecular Formula
C4Cl2F7I
SMILES
C(C(C(F)(F)Cl)(F)Cl)(C(F)(F)I)(F)F
InChI
InChI=1S/C4Cl2F7I/c5-1(7,3(6,10)11)2(8,9)4(12,13)14
InChIKey
YRAAQTPTEGTGOK-UHFFFAOYSA-N
Compound name
1,2-dichloro-1,1,2,3,3,4,4-heptafluoro-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

377.831 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.83828 141.4
[M+Na]+ 400.82022 145.4
[M-H]- 376.82372 127.9
[M+NH4]+ 395.86482 154.3
[M+K]+ 416.79416 146.0
[M+H-H2O]+ 360.82826 131.0
[M+HCOO]- 422.82920 139.6
[M+CH3COO]- 436.84485 202.2
[M+Na-2H]- 398.80567 136.3
[M]+ 377.83045 132.0
[M]- 377.83155 132.0
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