CID 4301401

2,6-dibromo-3,5-bis(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H3Br2F6N
SMILES
C1=C(C(=C(C(=C1C(F)(F)F)Br)N)Br)C(F)(F)F
InChI
InChI=1S/C8H3Br2F6N/c9-4-2(7(11,12)13)1-3(8(14,15)16)5(10)6(4)17/h1H,17H2
InChIKey
FFGIDWLBPMXQOY-UHFFFAOYSA-N
Compound name
2,6-dibromo-3,5-bis(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

384.85364 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.86092 171.7
[M+Na]+ 407.84286 184.2
[M-H]- 383.84636 172.5
[M+NH4]+ 402.88746 187.6
[M+K]+ 423.81680 166.2
[M+H-H2O]+ 367.85090 174.8
[M+HCOO]- 429.85184 180.6
[M+CH3COO]- 443.86749 216.6
[M+Na-2H]- 405.82831 173.5
[M]+ 384.85309 196.8
[M]- 384.85419 196.8
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

patents stripe